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PDB: 24 件

6LHM
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Structure of human PYCR2
分子名称: Pyrroline-5-carboxylate reductase 2
著者Baburajendran, N.
登録日2019-12-09
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Loss of PYCR2 Causes Neurodegeneration by Increasing Cerebral Glycine Levels via SHMT2.
Neuron, 107, 2020
3KMP
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BU of 3kmp by Molmil
Crystal Structure of SMAD1-MH1/DNA complex
分子名称: 5'-D(P*AP*TP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*AP*TP*A)-3', 5'-D(P*GP*TP*AP*TP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*A)-3', GLYCEROL, ...
著者Baburajendran, N, Palasingam, P, Narasimhan, K, Jauch, R, Kolatkar, P.R.
登録日2009-11-11
公開日2010-02-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of Smad1 MH1/DNA complex reveals distinctive rearrangements of BMP and TGF-beta effectors.
Nucleic Acids Res., 38, 2010
3QSV
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BU of 3qsv by Molmil
Structural basis for DNA recognition by constitutive Smad4 MH1 dimers
分子名称: DNA (5'-D(P*TP*GP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 4, ZINC ION
著者Baburajendran, N, Jauch, R, Zhen, C.T.Y, Kolatkar, P.R.
登録日2011-02-22
公開日2011-06-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structural basis for DNA recognition by constitutive Smad4 MH1 dimers
To be Published
6ILZ
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BU of 6ilz by Molmil
Crystal structure of PKCiota in complex with inhibitor
分子名称: 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide, Protein kinase C iota type
著者Baburajendran, N, Hill, J.
登録日2018-10-21
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.261 Å)
主引用文献Fragment-based Discovery of a Small-Molecule Protein Kinase C-iota Inhibitor Binding Post-kinase Domain Residues.
Acs Med.Chem.Lett., 10, 2019
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
分子名称: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
著者Baburajendran, N, Hill, J.
登録日2019-03-06
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
5XXJ
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BU of 5xxj by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 3
分子名称: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
著者Baburajendran, N, Jansson, A.E.
登録日2017-07-04
公開日2018-08-08
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 3
To Be Published
5XXG
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Crystal structure of SmyD3 in complex with covalent inhibitor 2
分子名称: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
著者Baburajendran, N, Jansson, E.A.
登録日2017-07-03
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 2
To Be Published
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
分子名称: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-07-03
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.314 Å)
主引用文献Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
5ZJS
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BU of 5zjs by Molmil
Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
著者Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZJQ
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BU of 5zjq by Molmil
Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
著者Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.443 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
7CC2
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BU of 7cc2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2020-06-16
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.723 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
4E6S
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BU of 4e6s by Molmil
Crystal structure of the SCAN domain from mouse Zfp206
分子名称: Zinc finger and SCAN domain-containing protein 10
著者Liang, Y, Choo, S.H, Rossbach, M, Baburajendran, N, Palasingam, P, Kolatkar, P.R.
登録日2012-03-15
公開日2012-05-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206.
Acta Crystallogr.,Sect.F, 68, 2012
8JVE
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BU of 8jve by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
分子名称: 1,2-ETHANEDIOL, 1-(3-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
著者Anantharajan, J, Baburajendran, N.
登録日2023-06-28
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
8JVL
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BU of 8jvl by Molmil
Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer
分子名称: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-1,2,3,4-tetrazole, Ubiquitin-conjugating enzyme E2 T
著者Anantharajan, J, Baburajendran, N.
登録日2023-06-28
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.
Biochem.Biophys.Res.Commun., 689, 2023
8JVD
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BU of 8jvd by Molmil
Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening
分子名称: 5-fluoranyl-1,3-benzoxazol-2-amine, Ubiquitin-conjugating enzyme E2 T
著者Anantharajan, J, Baburajendran, N.
登録日2023-06-28
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening.
Protein Sci., 33, 2024
8JUC
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BU of 8juc by Molmil
Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening
分子名称: 1,2-ETHANEDIOL, 7-methyl-2-(trifluoromethyl)-3~{H}-[1,2,4]triazolo[1,5-a]pyridin-5-one, Ubiquitin-conjugating enzyme E2 T
著者Anantharajan, J, Baburajendran, N.
登録日2023-06-26
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening.
Protein Sci., 33, 2024
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
分子名称: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
著者Anantharajan, J, Baburajendran, N.
登録日2021-07-02
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.491 Å)
主引用文献Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7F8H
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BU of 7f8h by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
分子名称: 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
著者Anantharajan, J, Baburajendran, N.
登録日2021-07-02
公開日2021-12-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7DT2
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BU of 7dt2 by Molmil
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors
分子名称: Tyrosine-protein kinase ABL1, [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-04
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Strategic Design of Catalytic Lysine-Targeting Reversible Covalent BCR-ABL Inhibitors*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
分子名称: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-19
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.146 Å)
主引用文献Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
5ZJT
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BU of 5zjt by Molmil
Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence
分子名称: DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*AP*AP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*TP*TP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ...
著者Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018
5ZJR
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BU of 5zjr by Molmil
Structure of AbdB/Exd complex bound to a 'Magenta14' DNA sequence
分子名称: DNA (5'-D(*GP*TP*CP*GP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*CP*GP*AP*C)-3'), Homeobox protein abdominal-B, ...
著者Zeiske, T, Baburajendran, N, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G.
登録日2018-03-22
公開日2018-08-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites.
Cell Rep, 24, 2018

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件を2024-05-15に公開中

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